[email protected]
CAS 827027-25-8 CHOLINE BIS(TRIFLUOROMETHYLSULFONYL)IMIDE molecular structure lightbox
CAS RN: 827027-25-8

CHOLINE BIS(TRIFLUOROMETHYLSULFONYL)IMIDE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100g In stock Shanghai Inquiry
Batchno.20250820 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250615 25g In stock Shanghai, Shandong Inquiry
Batchno.20260224 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS827027-25-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

827027-25-8 / bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium

Standard CAS: 827027-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
827027-25-8
Multi CAS
No
Molecular Formula
C7F6H14N2O5S2
Molecular Weight
384.300000
Exact Mass
384.024833
InChI
InChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1
InChIKey
XFXJXURAALDGSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.29
TPSA
102.61

LogP / Solubility

WLOGP
0.74
MLOGP
0.68
XLogP3
0.74
Consensus LogP
0.72
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us